From a49a41f8bd700e86f6b4d526e47871d46fb6758b Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Tue, 18 Nov 2025 12:22:26 -0500 Subject: [PATCH 1/2] fix changelog rendering --- CHANGELOG.rst | 167 ++++++++++++++++++++++---------------------------- 1 file changed, 72 insertions(+), 95 deletions(-) diff --git a/CHANGELOG.rst b/CHANGELOG.rst index 7d41b96..1e8be2d 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -19,172 +19,149 @@ Release notes Version 2024.2.2 ---------------- -Changes -~~~~~~~ +**Fixes:** -Fixes -~~~~~ - -- Correct powder pattern plotting with a non-empty name +* Correct powder pattern plotting with a non-empty name Version 2024.2.1 ---------------- -Changes -~~~~~~~ +**Changes:** -- **PowderPattern**: - - Fix re-using a matplotlib figure when plotting - - Add ``figure`` property +* PowderPattern: + * Fix re-using a matplotlib figure when plotting + * Add ``figure`` property Version 2024.2 -------------- -Changes -~~~~~~~ +**Changes:** -- **DiffractionDataSingleCrystal**: add ``SetHklIobs``, ``SetIobs``, ``SetSigma``, ``GetSigma``, ``GetChi2``, ``FitScaleFactorForRw`` and ``FitScaleFactorForR`` (`issue #42 `_) -- Add a single crystal data notebook example -- Online documentation notebooks now include the plots ``_ +* **DiffractionDataSingleCrystal**: add ``SetHklIobs``, ``SetIobs``, ``SetSigma``, ``GetSigma``, ``GetChi2``, ``FitScaleFactorForRw`` and ``FitScaleFactorForR`` (`issue #42 `_) +* Add a single crystal data notebook example +* Online documentation notebooks now include the plots ``_ -Fixes -~~~~~ +**Fixes:** -- From libobjcryst: update the ScatteringComponentList when a Scatterer is removed from a Crystal (`issue #41 `_) +* From libobjcryst: update the ScatteringComponentList when a Scatterer is removed from a Crystal (`issue #41 `_) Version 2024.1 -------------- -Changes -~~~~~~~ +**Changes:** -- Add python access to MolZAtom, for ``Molecule.AsZMatrix()`` +* Add python access to MolZAtom, for ``Molecule.AsZMatrix()`` Version 2.2.6 -------------- -Changes -~~~~~~~ +**Changes:** -- Support for Windows and Python>=3.8 -- Added a zoom limit for 3D crystal views +* Support for Windows and Python>=3.8 +* Added a zoom limit for 3D crystal views -Fixes -~~~~~ +**Fixes:** -- Correct error preventing pyobjcryst import for Windows and Python>=3.8 (`issue #33 `_) -- Fix for matplotlib >=3.7.0 when removing hkl labels +* Correct error preventing pyobjcryst import for Windows and Python>=3.8 (`issue #33 `_) +* Fix for matplotlib >=3.7.0 when removing hkl labels Version 2.2.5 -------------- -Changes -~~~~~~~ +**Changes:** -- Raise an exception if ``alpha``, ``beta`` or ``gamma`` are not within ``]0;pi[`` when changing lattice angles -- Add ``UnitCell.ChangeSpaceGroup()`` +* Raise an exception if ``alpha``, ``beta`` or ``gamma`` are not within ``]0;pi[`` when changing lattice angles +* Add ``UnitCell.ChangeSpaceGroup()`` -Fixes -~~~~~ +**Fixes:** -- Avoid duplication of plots when using ipympl (aka ``%matplotlib widget``) -- Correct powder pattern tests to avoid warnings +* Avoid duplication of plots when using ipympl (aka ``%matplotlib widget``) +* Correct powder pattern tests to avoid warnings -Deprecated -~~~~~~~~~~ +**Deprecated:** -- ``loadCrystal`` – use ``create_crystal_from_cif()`` instead +* ``loadCrystal`` – use ``create_crystal_from_cif()`` instead Version 2.2.4 -------------- -Changes -~~~~~~~ +**Changes:** -- The list of HKL reflections will now be automatically re-generated for a ``PowderPatternDiffraction`` when the Crystal's spacegroup changes, or the lattice parameters are modified by more than 0.5% +* The list of HKL reflections will now be automatically re-generated for a ``PowderPatternDiffraction`` when the Crystal's spacegroup changes, or the lattice parameters are modified by more than 0.5% -Fixes -~~~~~ +**Fixes:** -- Fixed the powder pattern indexing test +* Fixed the powder pattern indexing test Version 2.2.3 -------------- -Added -~~~~~ +**Added:** -- Support for Windows install (works with Python 3.7, and with PyPy 3.8 and 3.9) -- Native support for Apple arm64 (M1, M2) processors -- Fourier maps calculation -- Add ``gDiffractionDataSingleCrystalRegistry`` to globals +* Support for Windows install (works with Python 3.7, and with PyPy 3.8 and 3.9) +* Native support for Apple arm64 (M1, M2) processors +* Fourier maps calculation +* Add ``gDiffractionDataSingleCrystalRegistry`` to globals Version 2.2.2 -------------- -Changes -~~~~~~~ +**Changes:** -- Add correct wrapping for C++-instantiated objects available through global registries, e.g. when loading an XML file. The objects are decorated with the python functions when accessed through the global registries ``GetObj()`` -- Moved global object registries to ``pyobjcryst.globals`` -- Update documentation +* Add correct wrapping for C++-instantiated objects available through global registries, e.g. when loading an XML file. The objects are decorated with the python functions when accessed through the global registries ``GetObj()`` +* Moved global object registries to ``pyobjcryst.globals`` +* Update documentation -Fixed -~~~~~ +**Fixed:** -- Fix access to ``PRISM_TETRAGONAL_DICAP``, ``PRISM_TRIGONAL``, ``ICOSAHEDRON`` and ``TRIANGLE_PLANE`` -- Fix powder pattern plot issues (NaN and update of hkl text with recent matplotlib versions) +* Fix access to ``PRISM_TETRAGONAL_DICAP``, ``PRISM_TRIGONAL``, ``ICOSAHEDRON`` and ``TRIANGLE_PLANE`` +* Fix powder pattern plot issues (NaN and update of hkl text with recent matplotlib versions) Version 2.2.1 -- 2021-11-28 ---------------------------- -- Add quantitative phase analysis with ``PowderPattern.qpa()``, including an example notebook using the QPA Round-Robin data -- Correct import of ``urllib.request.urllopen()`` when loading CIF or z-matrix files from HTTP URLs -- Fix blank line javascript output when updating the Crystal 3D view -- Add ``RefinableObj.xml()`` to directly get the XMLOutput as a string -- Add example notebooks to the sphinx-generated html documentation -- Fix issue when using ``Crystal.XMLInput()`` for a non-empty structure. Existing scattering power will be re-used when possible, and otherwise not deleted anymore (which could lead to crashes) +* Add quantitative phase analysis with ``PowderPattern.qpa()``, including an example notebook using the QPA Round-Robin data +* Correct import of ``urllib.request.urllopen()`` when loading CIF or z-matrix files from HTTP URLs +* Fix blank line javascript output when updating the Crystal 3D view +* Add ``RefinableObj.xml()`` to directly get the XMLOutput as a string +* Add example notebooks to the sphinx-generated html documentation +* Fix issue when using ``Crystal.XMLInput()`` for a non-empty structure. Existing scattering power will be re-used when possible, and otherwise not deleted anymore (which could lead to crashes) Version 2.2.0 -- 2021-06-08 ---------------------------- -- Add access to ``Radiation`` class & functions to change RadiationType, wavelength in ``PowderPattern`` and ``ScatteringData`` (and hence ``DiffractionDataSingleCrystal``) classes -- Fix the custodian_ward when creating a ``PowderPatternDiffraction``: ``PowderPatternDiffraction`` must persist while ``PowderPattern`` exists, and Crystal must persist while ``PowderPatternDiffraction`` exists -- Add 3D Crystal viewer ``pyobjcryst.crystal.Crystal.widget_3d`` +* Add access to ``Radiation`` class & functions to change RadiationType, wavelength in ``PowderPattern`` and ``ScatteringData`` (and hence ``DiffractionDataSingleCrystal``) classes +* Fix the custodian_ward when creating a ``PowderPatternDiffraction``: ``PowderPatternDiffraction`` must persist while ``PowderPattern`` exists, and Crystal must persist while ``PowderPatternDiffraction`` exists +* Add 3D Crystal viewer ``pyobjcryst.crystal.Crystal.widget_3d`` Version 2.1.0 -- 2019-03-11 ---------------------------- -Added -~~~~~ +**Added:** -- Support for Python 3.7 -- Validation of compiler options from ``python-config`` -- Make scons scripts compatible with Python 3 and Python 2 -- Support ``np.array`` arguments for ``SetPowderPatternX``, ``SetPowderPatternObs`` -- Declare compatible version requirements for client Anaconda packages -- Facility for silencing spurious console output from libobjcryst +* Support for Python 3.7 +* Validation of compiler options from ``python-config`` +* Make scons scripts compatible with Python 3 and Python 2 +* Support ``np.array`` arguments for ``SetPowderPatternX``, ``SetPowderPatternObs`` +* Declare compatible version requirements for client Anaconda packages +* Facility for silencing spurious console output from libobjcryst -Changed -~~~~~~~ +**Changed:** -- Build Anaconda package with Anaconda C++ compiler -- Update to libobjcryst 2017.2.x +* Build Anaconda package with Anaconda C++ compiler +* Update to libobjcryst 2017.2.x -Deprecated -~~~~~~~~~~ +**Deprecated:** -- Variable ``__gitsha__`` in the ``version`` module, renamed to ``__git_commit__`` +* Variable ``__gitsha__`` in the ``version`` module, renamed to ``__git_commit__`` -Removed -~~~~~~~ +**Removed:** -- Support for Python 3.4 +* Support for Python 3.4 -Fixed -~~~~~ +**Fixed:** -- Ambiguous use of boost::python classes and functions -- Name suffix resolution of ``boost_python`` shared library -- ``SetPowderPatternX`` crash for zero-length argument -- Incorrectly doubled return value from ``GetInversionCenter`` +* Ambiguous use of boost::python classes and functions +* Name suffix resolution of ``boost_python`` shared library +* ``SetPowderPatternX`` crash for zero-length argument +* Incorrectly doubled return value from ``GetInversionCenter`` From 51db0d4d041fe139143544da81804778628b1d10 Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Tue, 18 Nov 2025 12:25:45 -0500 Subject: [PATCH 2/2] news --- news/changelog-render.rst | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 news/changelog-render.rst diff --git a/news/changelog-render.rst b/news/changelog-render.rst new file mode 100644 index 0000000..2c24335 --- /dev/null +++ b/news/changelog-render.rst @@ -0,0 +1,23 @@ +**Added:** + +* no news needed. + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* + +**Security:** + +*